Exploring the possibility of using fluorine-involved non-conjugated electron-withdrawing groups for thermally activated delayed fluorescence emitters by TD-DFT calculation

Dongyang Chen and Eli Zysman-Colman

Beilstein J. Org. Chem. 2021, 17, 210–223. doi:10.3762/bjoc.17.21

Supporting Information

The research data underpinning this publication can be accessed at https://doi.org/10.17630/b8f9f445-60a0-4c0a-808e-ce27cfcbf48a

Supporting Information File 1: Calculation details, Cartesian coordinates of all the molecules, SOCME calculation result, and HONTOs and LUNTOs of 2CzCF3/5CzCF3, 2CzOCF3/5CzOCF3, 2CzSCF3/5CzSCF3, and 2CzSF5/5CzSF5 in higher-lying excited states are available in supporting information.
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